SCHEMBL8991488

SCHEMBL8991488

CSc1nc2ccc(N3C[C@H](COS(C)(=O)=O)OC3=O)cc2s1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PKM P14618 3/20 0.41
KEAP1 Q14145 1/20 0.40
ALDH1A1 P00352 6/20 0.39
HTT P42858 6/20 0.39
LMNA P02545 5/20 0.39
TSHR P16473 2/20 0.39
HSP90AA1 P07900 1/20 0.39
HPGD P15428 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
RAB9A P51151 3/20 0.38
MAPT P10636 3/20 0.38
NPSR1 Q6W5P4 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
ALOX15 P16050 1/20 0.36
HSD17B10 Q99714 1/20 0.36
KDM4E B2RXH2 1/20 0.36
GRM2 Q14416 2/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8991274 0.84 MAOA (0.51) PKMKEAP1ALDH1A1TSHRHPGD
SCHEMBL9044273 0.84 KEAP1 (0.47) PKMKEAP1ALDH1A1HTTLMNA
Hydrochloric Acid SCHEMBL8991509 0.83 KEAP1 (0.46) PKMKEAP1ALDH1A1HTTLMNA
SCHEMBL8115548 0.79 MAOA (0.55) LMNA
SCHEMBL8991259 0.79 KAT8 (0.39) RAB9AGRM2
SCHEMBL7811047 0.78 GRM2 (0.38) PKMGRM2
SCHEMBL5235122 0.77 GRM2 (0.47) GRM2
SCHEMBL7840370 0.77 SIGMAR1 (0.41) GRM2
SCHEMBL9210124 0.75 GRM2 (0.51) GRM2
SCHEMBL12728925 0.73 GRM2 (0.60) GRM2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-8081463-A None JP disclosed
US-5529998-A ANTIBACTERIAL MEDICAMENTS BAYER AKTIENGESELLSCHAFT (DE) 1996-06-25 US disclosed
JP-H0881463-A BENZOAZOLYL-AND BENZOTHIAZOLYLOXAZOLIDINONES BAYER AG 1996-03-26 JP disclosed
EP-0697412-A1 Benzoxazolyl- and benzo-thiazolyl-oxazolidinones BAYER AG (DE) 1996-02-21 EP disclosed